Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F25%3A10505485" target="_blank" >RIV/00216208:11310/25:10505485 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I-rhilsKx9" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I-rhilsKx9</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.nanolett.5c04671" target="_blank" >10.1021/acs.nanolett.5c04671</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction

Popis výsledku v původním jazyce

Defect engineering has emerged as a powerful approach to enhance the photocatalytic activity of metal oxides, yet the role of oxygen vacancies, commonly regarded as the Shockley-Read-Hall charge recombination centers, remains controversial. Taking bismuth oxybromide (BiOBr) as a prototypical photocatalyst, we demonstrate a dual-defect strategy incorporating both surface Br (V-Br) and bulk O (V-O) vacancies to suppress recombination and enhance CO2 reduction. While the V-O alone results in significant charge losses, the V-Br improves CO2 adsorption and lowers its LUMO to effectively capture photoexcited electrons from the V-O-induced defect state for the subsequent reaction. Formation of a donor-acceptor pair between the CO2 LUMO and the valence band maximum facilitates long-lived charge separation due to weak nonadiabatic coupling. The strategy extends to vacancy-transition metal doping, further lowering reaction barriers and advancing defect engineering principles. The study provides a comprehensive understanding of defect-dependent photocatalytic reactions, forming a basis for defect engineering in photocatalysis.

Název v anglickém jazyce

Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction

Popis výsledku anglicky

Defect engineering has emerged as a powerful approach to enhance the photocatalytic activity of metal oxides, yet the role of oxygen vacancies, commonly regarded as the Shockley-Read-Hall charge recombination centers, remains controversial. Taking bismuth oxybromide (BiOBr) as a prototypical photocatalyst, we demonstrate a dual-defect strategy incorporating both surface Br (V-Br) and bulk O (V-O) vacancies to suppress recombination and enhance CO2 reduction. While the V-O alone results in significant charge losses, the V-Br improves CO2 adsorption and lowers its LUMO to effectively capture photoexcited electrons from the V-O-induced defect state for the subsequent reaction. Formation of a donor-acceptor pair between the CO2 LUMO and the valence band maximum facilitates long-lived charge separation due to weak nonadiabatic coupling. The strategy extends to vacancy-transition metal doping, further lowering reaction barriers and advancing defect engineering principles. The study provides a comprehensive understanding of defect-dependent photocatalytic reactions, forming a basis for defect engineering in photocatalysis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EH22_010%2F0008820" target="_blank" >EH22_010/0008820: MSCA Fellowships CZ - UK3</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nano Letters

ISSN

1530-6984

e-ISSN

1530-6992

Svazek periodika

25

Číslo periodika v rámci svazku

46

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

16507-16514

Kód UT WoS článku

001609350200001

EID výsledku v databázi Scopus

2-s2.0-105022162664